Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NSD2 | O96028 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 4/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL24891788 | 0.71 | HTT (0.46) | NSD2MAPK1KDM4EHTR2AHTR2C | |
| SCHEMBL1119947 | 0.66 | PNMT (0.39) | HTR2AHTR2CHTR2BMAPTPNMT | |
| SCHEMBL24892162 | 0.65 | HTT (0.42) | NSD2MAPK1KDM4EHTR2BHTT | |
| SCHEMBL30501086 | 0.65 | MAPK1 (0.66) | NSD2MAPK1KDM4EHTTGLA | |
| SCHEMBL23783191 | 0.65 | MAPK1 (0.66) | NSD2MAPK1KDM4EHTTGLA | |
| SCHEMBL17985355 | 0.65 | SMN1; SMN2 (0.62) | KDM4EHTR2AHTR2CHTR2BALDH1A1 | |
| SCHEMBL24891984 | 0.65 | KDM4E (0.38) | NSD2MAPK1KDM4EHTR2AHTR2C | |
| SCHEMBL12706725 | 0.64 | HTR2A (0.49) | HTR2AHTR2CHTR2BMAPTPNMT | |
| SCHEMBL2572051 | 0.63 | PNMT (0.42) | HTR2AHTR2CHTR2BMAPTPNMT | |
| SCHEMBL416988 | 0.62 | PNMT (0.41) | HTR2AHTR2CHTR2BMAPTPNMT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107207532-B | Nitroimidazole derivatives against tuberculosis | 南京明德新药研发股份有限公司 | 2019-07-30 | — | — | CN | disclosed |